SCHEMBL7970682

SCHEMBL7970682

CC(C)(C)OC(=O)N1CC=C(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.49
TRPV1 Q8NER1 2/20 0.49
GPR119 Q8TDV5 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
DRD4 P21917 3/20 0.46
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
GRM1 Q13255 5/20 0.46
GRM5 P41594 4/20 0.46
PDK4 Q16654 1/20 0.45
JAK1 P23458 1/20 0.44
PDE10A Q9Y233 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7834934 0.92 CNR1 (0.44) CNR1TRPV1GPR119NPC1RAB9A
SCHEMBL1198787 0.85 PDE10A (0.56) GPR119DRD4DRD3DRD2GRM1
SCHEMBL26962767 0.83 NPC1 (0.46) GPR119NPC1RAB9AGRM1GRM5
SCHEMBL29858208 0.83 NPC1 (0.46) GPR119NPC1RAB9AGRM1GRM5
SCHEMBL8369432 0.82 NPC1 (0.48) TRPV1NPC1RAB9ADRD4DRD3
SCHEMBL23290770 0.82 GRM1 (0.46) CNR1GPR119GRM1GRM5PDK4
SCHEMBL7970683 0.80 PDK4 (0.51) CNR1GPR119GRM1GRM5PDK4
SCHEMBL26962691 0.79 LMNA (0.49) GPR119NPC1PDK4JAK1PDE10A
SCHEMBL29858299 0.79 LMNA (0.49) GPR119NPC1PDK4JAK1PDE10A
SCHEMBL30513848 0.79 GRM1 (0.44) CNR1TRPV1GPR119GRM1GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed